CID 45051028

N-(2,6-dichlorophenyl)-2-(2,4,6-trichlorophenoxy)acetamide

Structural Information

Molecular Formula
C14H8Cl5NO2
SMILES
C1=CC(=C(C(=C1)Cl)NC(=O)COC2=C(C=C(C=C2Cl)Cl)Cl)Cl
InChI
InChI=1S/C14H8Cl5NO2/c15-7-4-10(18)14(11(19)5-7)22-6-12(21)20-13-8(16)2-1-3-9(13)17/h1-5H,6H2,(H,20,21)
InChIKey
JZAPBWMDXCSWCQ-UHFFFAOYSA-N
Compound name
N-(2,6-dichlorophenyl)-2-(2,4,6-trichlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.89978 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.90706 179.7
[M+Na]+ 419.88900 189.2
[M-H]- 395.89250 181.2
[M+NH4]+ 414.93360 191.6
[M+K]+ 435.86294 183.3
[M+H-H2O]+ 379.89704 175.9
[M+HCOO]- 441.89798 178.2
[M+CH3COO]- 455.91363 219.3
[M+Na-2H]- 417.87445 178.0
[M]+ 396.89923 182.8
[M]- 396.90033 182.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.